data_2n0z_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n0z _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 29' ' ' THR . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 30' ' ' SER . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.689 ' H ' ' HG1' ' A' ' 29' ' ' THR . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.441 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.886 0.374 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' OG1' ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 30' ' ' SER . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.612 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 27' ' ' ILE . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.734 0.302 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.379 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 29' ' ' THR . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' LEU . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' O ' ' OG1' ' A' ' 29' ' ' THR . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 27' ' ' ILE . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.778 0.323 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 27' ' ' ILE . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 26' ' ' THR . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 29' ' ' THR . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.328 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 29' ' ' THR . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' CYS . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.922 0.391 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 27' ' ' ILE . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.627 ' HG1' ' H ' ' A' ' 30' ' ' SER . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.627 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.503 HH11 ' ND2' ' A' ' 28' ' ' ASN . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' A' ' 29' ' ' THR . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' HH11 ' A' ' 24' ' ' ARG . 12.0 m-80 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.569 ' HG1' ' H ' ' A' ' 30' ' ' SER . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.569 ' H ' ' HG1' ' A' ' 29' ' ' THR . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.671 ' HZ3' ' HZ1' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.671 ' HZ1' ' HZ3' ' A' ' 17' ' ' LYS . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.557 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.557 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' CYS . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' LEU . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 29' ' ' THR . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 30' ' ' SER . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.515 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 26' ' ' THR . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' O ' ' OG1' ' A' ' 29' ' ' THR . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 30' ' ' SER . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.593 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' A' ' 29' ' ' THR . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.86 0.362 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 26' ' ' THR . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' O ' ' OG1' ' A' ' 29' ' ' THR . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.621 ' HG ' ' H ' ' A' ' 31' ' ' CYS . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.621 ' H ' ' HG ' ' A' ' 30' ' ' SER . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 29' ' ' THR . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.2 m-80 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 31' ' ' CYS . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' H ' ' HG ' ' A' ' 30' ' ' SER . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -167.32 135.43 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -156.49 105.63 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.617 ' CB ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -90.14 -160.86 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 3.0 m-85 -147.95 148.83 31.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -95.88 109.51 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 42' ' ' GLU . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 76.7 mtp180 -55.1 -40.88 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.17 -52.36 63.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.78 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 23' ' ' LEU . 15.6 pt-20 -74.36 -33.93 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.586 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.72 -32.79 67.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 20.7 m170 -62.74 -34.24 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -69.99 -29.24 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' VAL . 21.0 mmt180 -65.03 -34.01 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.68 -46.92 87.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -81.54 -48.7 11.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.48 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' ARG . 90.3 t -91.24 131.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.418 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -144.85 121.3 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.667 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -143.58 100.85 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.7 tttt 55.77 99.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.72 -168.4 1.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.45 151.9 42.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.411 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.88 109.63 21.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 29' ' ' THR . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 30' ' ' SER . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.689 ' H ' ' HG1' ' A' ' 29' ' ' THR . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -53.37 -34.74 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -54.72 -51.46 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.86 -42.2 61.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -49.28 -32.86 11.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -72.0 -32.52 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.2 -26.84 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -69.53 -37.32 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.61 -32.75 74.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -53.69 -33.63 56.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.475 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.7 t -77.41 2.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -138.44 62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.523 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 8.0 p80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -76.05 95.72 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.402 . . . . 0.0 110.457 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 50.5 mttp -89.99 98.91 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.559 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -51.81 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.371 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -128.22 171.87 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 -138.3 109.54 6.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 43.6 mtp180 -49.78 -31.5 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -66.01 -38.61 88.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -74.63 -44.41 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.369 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -49.12 -37.03 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 25.7 m170 -66.07 -34.13 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -67.23 -33.83 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -52.78 -56.37 16.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.195 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -100.98 111.46 23.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.381 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' TYR . 11.9 p -156.18 -2.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' VAL . 66.8 t80 57.88 123.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.673 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' OXT' ' CD2' ' A' ' 51' ' ' HIS . 14.5 t60 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.485 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.477 ' H ' ' HG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -48.05 95.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.527 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLY . 33.3 ttmt -152.21 102.57 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -76.67 -169.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -131.06 154.08 48.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -95.9 109.7 22.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' OG1' ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 30' ' ' SER . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.612 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.16 -31.97 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.99 -47.53 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.495 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.22 -41.96 80.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -49.07 -44.96 42.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -59.97 -38.61 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -60.33 -31.4 70.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -69.54 -50.62 43.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.654 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp -51.72 -37.0 49.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.311 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -54.6 -55.42 29.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.6 44.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -157.69 26.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 16.0 t-160 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 54.36 114.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -143.81 45.17 1.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 2.7 mptp? -78.34 -169.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.561 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -123.32 152.75 41.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.97 109.58 21.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' SER . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 27' ' ' ILE . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -50.05 -32.53 15.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.77 -47.23 86.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.64 -49.22 42.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.32 -34.59 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -71.96 -35.3 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.65 -24.24 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -69.71 -46.22 66.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 8.8 mp -54.75 -28.33 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.423 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -59.22 -51.14 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -83.11 -156.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' H ' HG12 ' A' ' 49' ' ' VAL . 18.6 m-85 39.51 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.767 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.499 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' A' ' 11' ' ' LYS . 15.0 t -154.58 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.934 0.397 . . . . 0.0 110.35 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 54.5 tttm -172.81 104.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 3.7 mptp? -51.0 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.491 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 7.4 m-85 -149.37 150.38 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.55 109.46 21.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -50.86 -34.69 29.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -58.3 -51.53 69.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.73 -40.56 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.16 -47.46 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -57.19 -30.08 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.771 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.75 -37.2 68.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -52.06 -44.01 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 138.94 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.76 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.41 173.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.17 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 10.8 p90 -154.31 68.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -135.83 -158.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.497 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -149.82 123.48 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.335 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -123.41 140.36 53.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.0 109.51 21.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' SER . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 29' ' ' THR . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' LEU . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -50.97 -32.74 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -57.71 -52.2 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.705 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -74.04 -48.93 26.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -49.43 -32.85 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 32.5 m170 -71.98 -36.1 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -62.58 -24.73 67.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.685 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' VAL . 14.4 mmt85 -69.51 -37.17 77.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 7.7 mp -72.95 -39.79 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -46.45 -61.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' ARG . 14.6 p -115.43 160.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 13.5 p90 -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.507 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 29.0 t-80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.1 p -87.98 96.84 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.687 0.279 . . . . 0.0 110.645 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 10' ' ' THR . 7.9 tptm 38.91 95.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.91 -156.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.48 169.19 18.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.85 109.53 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' O ' ' OG1' ' A' ' 29' ' ' THR . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 27' ' ' ILE . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -49.86 -33.82 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.17 -52.09 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.468 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.8 -42.77 85.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.218 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -48.94 -46.11 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -56.78 -36.71 70.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.799 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -65.01 -43.26 93.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.004 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -55.12 -37.49 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.27 -28.38 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.444 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -76.34 -70.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.9 122.63 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 6.9 p90 -94.62 45.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.63 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 43.3 p -133.07 -157.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 10' ' ' THR . 28.9 tttp 74.54 92.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 16.3 mttt 48.87 -164.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 12' ' ' LYS . 16.9 m-85 -151.37 156.33 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -96.0 109.59 21.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' A' ' 29' ' ' THR . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 27' ' ' ILE . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.46 -30.58 63.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.84 -52.16 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -29.59 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.655 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -60.39 -33.1 71.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.224 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.52 -42.07 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' VAL . 65.9 mtp180 -56.18 -41.49 75.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.12 -33.33 51.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.93 -29.07 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' A' ' 50' ' ' TYR . 32.5 tttm -101.71 -4.38 26.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.858 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 p -64.04 3.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.484 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 48' ' ' LYS . 22.0 t80 -122.81 40.23 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' TYR . 53.7 t-80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.614 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 57.94 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.793 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -123.09 59.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.46 -156.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -123.28 159.46 28.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.95 109.63 21.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 26' ' ' THR . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 29' ' ' THR . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -51.01 -33.92 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.88 -44.58 86.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.36 -47.46 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -49.15 -32.77 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -71.27 -37.43 71.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -70.03 -30.61 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.68 -33.56 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.09 -42.14 98.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -66.47 -40.91 89.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.95 134.51 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.466 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -83.16 -144.9 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.594 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' OXT' ' CD2' ' A' ' 51' ' ' HIS . 9.9 t-160 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.567 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.5 t -155.6 -157.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -151.82 87.66 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp 40.78 -157.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.765 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -143.64 157.5 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -112.59 109.62 19.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 29' ' ' THR . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' CYS . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -53.73 -32.28 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -56.6 -52.05 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.6 -42.35 78.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.41 -36.94 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -71.87 -34.54 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -63.47 -24.61 67.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.909 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -69.79 -45.37 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 8.2 mp -59.76 -42.7 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.389 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -47.05 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.81 128.88 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.494 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.51 75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.472 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -147.82 120.39 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -170.21 98.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.91 -165.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 14.6 m-85 -149.38 142.5 24.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.96 109.89 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 27' ' ' ILE . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.627 ' HG1' ' H ' ' A' ' 30' ' ' SER . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.627 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 -51.51 -36.39 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.78 -48.73 72.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.501 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.87 -43.65 62.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.501 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -48.81 -53.02 20.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.574 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -54.94 -37.55 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 -72.51 -44.31 62.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.427 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' NH2' ' O ' ' A' ' 18' ' ' TRP . 20.5 mmt180 -51.09 -36.24 39.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.83 -30.15 71.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -48.77 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.77 -179.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 48.27 29.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' ND1' ' C ' ' A' ' 51' ' ' HIS . 2.3 t-80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.607 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 8.8 t -145.36 -157.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.385 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' N ' ' OG1' ' A' ' 10' ' ' THR . 35.1 tttm -136.85 97.0 3.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.561 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -165.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.42 146.18 49.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.11 109.51 21.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.503 HH11 ' ND2' ' A' ' 28' ' ' ASN . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' OG1' ' A' ' 29' ' ' THR . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' HH11 ' A' ' 24' ' ' ARG . 12.0 m-80 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.569 ' HG1' ' H ' ' A' ' 30' ' ' SER . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.569 ' H ' ' HG1' ' A' ' 29' ' ' THR . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -49.9 -31.09 11.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.5 -45.39 87.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.345 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.84 -49.0 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -49.15 -47.93 45.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.456 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -56.14 -40.89 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -67.12 -44.23 80.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -54.47 -36.37 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.07 -43.91 81.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.3 tttp -55.9 -95.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' O ' ' O ' ' A' ' 48' ' ' LYS . 21.0 t 51.11 106.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -116.04 27.57 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.218 -0.57 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.604 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p -135.97 -158.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.476 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -160.52 127.87 4.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -136.42 -158.07 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.5 m-85 -150.4 159.78 44.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.539 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -103.32 109.51 21.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.671 ' HZ3' ' HZ1' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.671 ' HZ1' ' HZ3' ' A' ' 17' ' ' LYS . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.557 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' A' ' 29' ' ' THR . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 30' ' ' SER . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.557 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' CYS . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' LEU . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -50.81 -37.58 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.71 -50.77 67.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.17 -43.42 78.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.624 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -49.12 -34.87 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -71.94 -35.61 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -61.0 -28.67 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.65 -37.59 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.42 -37.3 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -45.97 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.61 117.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -173.75 87.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.553 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -172.08 144.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.46 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -129.13 97.43 4.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' CB ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -89.18 -168.41 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -138.36 148.27 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.392 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -95.81 109.62 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 29' ' ' THR . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 30' ' ' SER . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.515 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 37.2 mtp85 -50.06 -34.1 20.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.26 -47.38 86.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -74.55 -47.0 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -49.08 -33.19 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 54.9 m170 -71.92 -34.56 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.41 -28.45 69.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -69.62 -40.63 76.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -44.33 -41.57 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.61 139.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 14.2 m-85 -117.28 55.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' ' NZ ' ' A' ' 12' ' ' LYS . 13.3 t -160.12 -157.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -145.0 116.76 8.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.6 mptp? -85.97 -157.15 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.4 m-85 -153.97 138.85 17.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -95.82 109.53 21.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 26' ' ' THR . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 29' ' ' THR . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -51.7 -33.05 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -60.09 -52.12 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.81 -42.37 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.306 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -49.29 -34.67 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -67.5 -38.08 83.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -62.62 -28.23 69.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.921 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -69.72 -39.76 76.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.15 -53.44 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -81.78 110.96 17.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.08 151.32 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 10.4 m-85 -87.69 52.49 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.606 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 p -149.23 97.66 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -84.65 93.0 8.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 2.5 mppt? 43.05 -162.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 5.1 m-85 -151.73 163.55 38.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -96.07 109.57 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.638 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' O ' ' OG1' ' A' ' 29' ' ' THR . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 30' ' ' SER . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.593 ' H ' ' HG1' ' A' ' 29' ' ' THR . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -49.88 -30.95 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.37 -43.61 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 40.9 mm-40 -71.92 -40.38 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.24 -42.92 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.01 -37.99 86.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' NH1' ' OE2' ' A' ' 42' ' ' GLU . 89.2 mtt180 -59.87 -28.91 67.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.044 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -69.64 -38.06 77.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.718 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.41 -29.77 67.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.349 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -74.93 -70.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -47.94 124.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 41.62 54.43 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 20.6 t-80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.538 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 p -148.87 121.7 8.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.766 0.317 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -139.78 110.81 6.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.449 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 -156.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.491 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -143.09 147.51 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -95.91 109.55 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' A' ' 29' ' ' THR . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 59.5 mtp180 -54.58 -30.54 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.07 -52.29 25.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -29.66 62.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.631 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.85 -34.1 76.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.3 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 55.5 m170 -66.81 -39.01 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.494 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -62.12 -37.77 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.34 -33.57 63.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.35 -42.88 64.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.58 -98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.66 125.94 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -138.6 110.34 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.49 ' CG2' ' HZ1' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -176.72 145.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.62 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' N ' ' HG1' ' A' ' 10' ' ' THR . 58.6 tttp -128.78 103.52 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HZ1' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -113.76 -168.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -130.73 162.04 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -95.96 109.84 22.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 26' ' ' THR . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' O ' ' OG1' ' A' ' 29' ' ' THR . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.621 ' HG ' ' H ' ' A' ' 31' ' ' CYS . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.621 ' H ' ' HG ' ' A' ' 30' ' ' SER . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -55.76 -36.86 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.57 -52.6 64.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.929 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -29.43 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.434 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.87 -38.47 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.95 -35.52 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.74 -26.29 68.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.613 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 27.5 mmt180 -66.18 -45.76 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 9.3 mp -53.01 -32.99 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.77 -12.31 52.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.613 ' CG2' ' H ' ' A' ' 50' ' ' TYR . 4.2 p -69.04 -152.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.378 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.613 ' H ' ' CG2' ' A' ' 49' ' ' VAL . 3.1 m-85 -60.1 76.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' VAL . 35.6 p-80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.628 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -176.06 145.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.96 107.33 9.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.14 -175.42 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 3.7 m-85 -152.06 158.48 43.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -95.94 109.44 21.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 29' ' ' THR . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.2 m-80 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 25' ' ' ASP . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 31' ' ' CYS . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' H ' ' HG ' ' A' ' 30' ' ' SER . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -62.38 -32.29 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.687 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.45 -31.32 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -58.45 -32.98 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -59.79 -32.78 70.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -56.46 -33.67 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.389 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 7.4 mp -75.91 -21.8 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.361 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -73.78 -58.32 3.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.1 t -46.12 124.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -60.95 88.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.451 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' OXT' ' CD2' ' A' ' 51' ' ' HIS . 12.5 t-160 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.561 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 35' ' ' LEU . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 27' ' ' ILE . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.485 HD11 ' SG ' ' A' ' 39' ' ' CYS . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 35' ' ' LEU . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.54 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 35' ' ' LEU . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.886 0.374 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 39' ' ' CYS . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.734 0.302 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 35' ' ' LEU . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.379 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' HE ' ' A' ' 40' ' ' ARG . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 27' ' ' ILE . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HE ' HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 21' ' ' ALA . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.538 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' HD11 ' A' ' 27' ' ' ILE . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.778 0.323 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 ' SG ' ' A' ' 39' ' ' CYS . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' HD11 ' A' ' 27' ' ' ILE . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 35' ' ' LEU . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 27' ' ' ILE . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.328 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.922 0.391 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.495 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 27' ' ' ILE . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.568 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' A' ' 39' ' ' CYS . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 35' ' ' LEU . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 35' ' ' LEU . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 35' ' ' LEU . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.534 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' HD11 ' A' ' 27' ' ' ILE . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.86 0.362 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 35' ' ' LEU . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 27' ' ' ILE . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -167.32 135.43 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -156.49 105.63 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -90.14 -160.86 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 3.0 m-85 -147.95 148.83 31.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -95.88 109.51 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 42' ' ' GLU . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 35' ' ' LEU . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 27' ' ' ILE . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -55.1 -40.88 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.17 -52.36 63.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.78 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 23' ' ' LEU . 15.6 pt-20 -74.36 -33.93 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.586 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.72 -32.79 67.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -34.24 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -69.99 -29.24 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' VAL . 21.0 mmt180 -65.03 -34.01 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.68 -46.92 87.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -81.54 -48.7 11.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.48 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' ARG . 90.3 t -91.24 131.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.418 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -144.85 121.3 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 51' ' ' HIS . 29.4 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.667 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -143.58 100.85 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.7 tttt 55.77 99.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.72 -168.4 1.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.45 151.9 42.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.411 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.88 109.63 21.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.485 HD11 ' SG ' ' A' ' 39' ' ' CYS . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 35' ' ' LEU . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -53.37 -34.74 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -54.72 -51.46 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.86 -42.2 61.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -49.28 -32.86 11.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -32.52 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.2 -26.84 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -69.53 -37.32 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.61 -32.75 74.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -53.69 -33.63 56.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.475 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 49' ' ' VAL . 18.7 t -77.41 2.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -138.44 62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -76.05 95.72 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.402 . . . . 0.0 110.457 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 50.5 mttp -89.99 98.91 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.559 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -51.81 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.371 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -128.22 171.87 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 -138.3 109.54 6.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 HH21 ' A' ' 46' ' ' ARG . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.54 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 35' ' ' LEU . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -49.78 -31.5 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -66.01 -38.61 88.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -74.63 -44.41 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.369 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -49.12 -37.03 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -66.07 -34.13 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -67.23 -33.83 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.479 HH21 HD11 ' A' ' 23' ' ' LEU . 11.1 mmt180 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -52.78 -56.37 16.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.195 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -100.98 111.46 23.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.381 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.9 p -156.18 -2.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' VAL . 66.8 t80 57.88 123.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.673 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.485 179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.05 95.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.527 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLY . 33.3 ttmt -152.21 102.57 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -76.67 -169.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -131.06 154.08 48.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -95.9 109.7 22.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 39' ' ' CYS . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.16 -31.97 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.99 -47.53 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.495 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.22 -41.96 80.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -49.07 -44.96 42.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -59.97 -38.61 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -60.33 -31.4 70.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -69.54 -50.62 43.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.654 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp -51.72 -37.0 49.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.311 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -54.6 -55.42 29.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.6 44.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -157.69 26.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.634 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 54.36 114.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -143.81 45.17 1.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 2.7 mptp? -78.34 -169.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.561 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -123.32 152.75 41.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.97 109.58 21.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HH21 ' A' ' 46' ' ' ARG . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -50.05 -32.53 15.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.77 -47.23 86.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.64 -49.22 42.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.32 -34.59 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -71.96 -35.3 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.65 -24.24 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 HH21 HD11 ' A' ' 23' ' ' LEU . 10.8 mmt180 -69.71 -46.22 66.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 47' ' ' LEU . 8.8 mp -54.75 -28.33 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.423 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -59.22 -51.14 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -83.11 -156.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' H ' HG12 ' A' ' 49' ' ' VAL . 18.6 m-85 39.51 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.767 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.499 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 t -154.58 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.934 0.397 . . . . 0.0 110.35 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 54.5 tttm -172.81 104.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 3.7 mptp? -51.0 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.491 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 7.4 m-85 -149.37 150.38 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.55 109.46 21.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 35' ' ' LEU . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -50.86 -34.69 29.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -58.3 -51.53 69.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.73 -40.56 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.16 -47.46 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -57.19 -30.08 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.771 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.75 -37.2 68.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -52.06 -44.01 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 138.94 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.76 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.41 173.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.17 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 10.8 p90 -154.31 68.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -135.83 -158.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.497 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -149.82 123.48 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.335 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -123.41 140.36 53.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.0 109.51 21.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' NH2' ' A' ' 46' ' ' ARG . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' HE ' ' A' ' 40' ' ' ARG . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 27' ' ' ILE . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HE ' HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -50.97 -32.74 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -57.71 -52.2 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.705 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -74.04 -48.93 26.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -49.43 -32.85 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 32.5 m170 -71.98 -36.1 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -62.58 -24.73 67.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.685 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' VAL . 14.4 mmt85 -69.51 -37.17 77.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 47' ' ' LEU . 7.7 mp -72.95 -39.79 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -46.45 -61.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 50' ' ' TYR . 14.6 p -115.43 160.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' N ' HG22 ' A' ' 49' ' ' VAL . 13.5 p90 -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.507 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 29.0 t-80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.1 p -87.98 96.84 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.687 0.279 . . . . 0.0 110.645 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 10' ' ' THR . 7.9 tptm 38.91 95.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.91 -156.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.48 169.19 18.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.85 109.53 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 21' ' ' ALA . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.538 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' HD11 ' A' ' 27' ' ' ILE . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -49.86 -33.82 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.17 -52.09 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.468 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.8 -42.77 85.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.218 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -48.94 -46.11 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -56.78 -36.71 70.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.799 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -65.01 -43.26 93.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.004 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -55.12 -37.49 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.27 -28.38 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.444 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -76.34 -70.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 49' ' ' VAL . 34.5 m -66.9 122.63 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 6.9 p90 -94.62 45.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HD1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.63 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 43.3 p -133.07 -157.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 10' ' ' THR . 28.9 tttp 74.54 92.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 16.3 mttt 48.87 -164.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 12' ' ' LYS . 16.9 m-85 -151.37 156.33 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -96.0 109.59 21.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 ' SG ' ' A' ' 39' ' ' CYS . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' HD11 ' A' ' 27' ' ' ILE . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.46 -30.58 63.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.84 -52.16 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.35 -29.59 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.655 -179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -60.39 -33.1 71.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.224 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.52 -42.07 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' VAL . 65.9 mtp180 -56.18 -41.49 75.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 49' ' ' VAL . 13.7 mmt85 -53.12 -33.33 51.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.93 -29.07 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 50' ' ' TYR . 32.5 tttm -101.71 -4.38 26.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.858 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 p -64.04 3.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.484 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 48' ' ' LYS . 22.0 t80 -122.81 40.23 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' TYR . 53.7 t-80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.614 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 57.94 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.793 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -123.09 59.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.46 -156.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -123.28 159.46 28.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.95 109.63 21.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 35' ' ' LEU . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 27' ' ' ILE . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -51.01 -33.92 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.88 -44.58 86.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.36 -47.46 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -49.15 -32.77 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -71.27 -37.43 71.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -70.03 -30.61 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.68 -33.56 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.09 -42.14 98.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -66.47 -40.91 89.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.95 134.51 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.466 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -83.16 -144.9 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.594 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.567 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.5 t -155.6 -157.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -151.82 87.66 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp 40.78 -157.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.765 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -143.64 157.5 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -112.59 109.62 19.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD11 ' NH2' ' A' ' 46' ' ' ARG . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -53.73 -32.28 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -56.6 -52.05 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.6 -42.35 78.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.41 -36.94 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -71.87 -34.54 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -63.47 -24.61 67.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.909 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH2' HD11 ' A' ' 23' ' ' LEU . 8.7 mmt85 -69.79 -45.37 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 47' ' ' LEU . 8.2 mp -59.76 -42.7 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.389 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -47.05 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 49' ' ' VAL . 14.1 p -99.81 128.88 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.494 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.51 75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.472 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -147.82 120.39 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -170.21 98.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.91 -165.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 14.6 m-85 -149.38 142.5 24.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.96 109.89 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.495 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 27' ' ' ILE . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 -51.51 -36.39 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.78 -48.73 72.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.501 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.87 -43.65 62.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.501 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 47' ' ' LEU . 29.4 t80 -48.81 -53.02 20.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.574 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -54.94 -37.55 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 -72.51 -44.31 62.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.427 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' NH2' ' O ' ' A' ' 18' ' ' TRP . 20.5 mmt180 -51.09 -36.24 39.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 43' ' ' PHE . 7.9 mp -63.83 -30.15 71.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -48.77 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -87.77 -179.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' HG23 ' A' ' 49' ' ' VAL . 3.8 m-85 48.27 29.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' C ' ' ND1' ' A' ' 51' ' ' HIS . 2.3 t-80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.607 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 8.8 t -145.36 -157.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.385 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' OG1' ' A' ' 10' ' ' THR . 35.1 tttm -136.85 97.0 3.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.561 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -165.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.42 146.18 49.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.11 109.51 21.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -49.9 -31.09 11.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.5 -45.39 87.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.345 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.84 -49.0 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 47' ' ' LEU . 31.5 t80 -49.15 -47.93 45.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.456 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -56.14 -40.89 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -67.12 -44.23 80.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -54.47 -36.37 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 43' ' ' PHE . 7.7 mp -67.07 -43.91 81.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.3 tttp -55.9 -95.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' O ' ' O ' ' A' ' 48' ' ' LYS . 21.0 t 51.11 106.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -116.04 27.57 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.218 -0.57 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.604 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p -135.97 -158.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.476 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -160.52 127.87 4.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -136.42 -158.07 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.5 m-85 -150.4 159.78 44.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.539 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -103.32 109.51 21.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.568 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' A' ' 39' ' ' CYS . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 35' ' ' LEU . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -50.81 -37.58 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.71 -50.77 67.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.17 -43.42 78.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.624 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -49.12 -34.87 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -71.94 -35.61 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -61.0 -28.67 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.65 -37.59 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.42 -37.3 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -45.97 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.6 p -44.61 117.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -173.75 87.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.553 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -172.08 144.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.46 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -129.13 97.43 4.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -89.18 -168.41 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -138.36 148.27 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.392 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -95.81 109.62 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 35' ' ' LEU . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 37.2 mtp85 -50.06 -34.1 20.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.26 -47.38 86.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -74.55 -47.0 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -49.08 -33.19 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 54.9 m170 -71.92 -34.56 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.41 -28.45 69.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -69.62 -40.63 76.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -44.33 -41.57 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.61 139.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 14.2 m-85 -117.28 55.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' ' NZ ' ' A' ' 12' ' ' LYS . 13.3 t -160.12 -157.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -145.0 116.76 8.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.6 mptp? -85.97 -157.15 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.4 m-85 -153.97 138.85 17.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -95.82 109.53 21.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -51.7 -33.05 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -60.09 -52.12 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.81 -42.37 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.306 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -49.29 -34.67 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -67.5 -38.08 83.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -62.62 -28.23 69.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.921 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -69.72 -39.76 76.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.15 -53.44 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -81.78 110.96 17.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.08 151.32 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 10.4 m-85 -87.69 52.49 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.606 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 p -149.23 97.66 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -84.65 93.0 8.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 2.5 mppt? 43.05 -162.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 5.1 m-85 -151.73 163.55 38.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -96.07 109.57 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.638 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HH21 ' A' ' 46' ' ' ARG . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 35' ' ' LEU . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -49.88 -30.95 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.37 -43.61 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 40.9 mm-40 -71.92 -40.38 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.24 -42.92 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -37.99 86.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' O ' HG12 ' A' ' 49' ' ' VAL . 89.2 mtt180 -59.87 -28.91 67.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.044 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.423 HH21 HD11 ' A' ' 23' ' ' LEU . 11.0 mmt180 -69.64 -38.06 77.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.718 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 47' ' ' LEU . 11.1 mp -69.41 -29.77 67.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.349 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -74.93 -70.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.5 p -47.94 124.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 41.62 54.43 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 20.6 t-80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.538 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 p -148.87 121.7 8.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.766 0.317 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -139.78 110.81 6.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.449 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -101.69 -156.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.491 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -143.09 147.51 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -95.91 109.55 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.534 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' HD11 ' A' ' 27' ' ' ILE . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -54.58 -30.54 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.07 -52.29 25.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -73.42 -29.66 62.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.631 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.85 -34.1 76.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.3 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -66.81 -39.01 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -62.12 -37.77 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.34 -33.57 63.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.35 -42.88 64.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.58 -98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -58.66 125.94 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -138.6 110.34 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.72 145.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -128.78 103.52 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.76 -168.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.326 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -130.73 162.04 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -95.96 109.84 22.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 35' ' ' LEU . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 27' ' ' ILE . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -55.76 -36.86 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.57 -52.6 64.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.929 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.54 -29.43 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.87 -38.47 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -61.95 -35.52 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.74 -26.29 68.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.613 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.672 ' O ' HG12 ' A' ' 49' ' ' VAL . 27.5 mmt180 -66.18 -45.76 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 47' ' ' LEU . 9.3 mp -53.01 -32.99 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.77 -12.31 52.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.907 HG22 ' H ' ' A' ' 50' ' ' TYR . 4.2 p -69.04 -152.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.378 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.907 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.1 m-85 -60.1 76.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' VAL . 35.6 p-80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.628 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -176.06 145.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.96 107.33 9.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -87.14 -175.42 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 3.7 m-85 -152.06 158.48 43.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -95.94 109.44 21.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' OE2' ' A' ' 42' ' ' GLU . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -62.38 -32.29 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.687 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' OE2' HD13 ' A' ' 15' ' ' LEU . 13.0 pt-20 -70.45 -31.32 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -58.45 -32.98 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -59.79 -32.78 70.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -56.46 -33.67 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.389 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 47' ' ' LEU . 7.4 mp -75.91 -21.8 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.361 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -73.78 -58.32 3.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.1 t -46.12 124.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -60.95 88.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.451 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.561 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 35' ' ' LEU . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 27' ' ' ILE . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.485 HD11 ' SG ' ' A' ' 39' ' ' CYS . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 35' ' ' LEU . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.54 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 35' ' ' LEU . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.886 0.374 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 39' ' ' CYS . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.734 0.302 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 35' ' ' LEU . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.379 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' HE ' ' A' ' 40' ' ' ARG . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 27' ' ' ILE . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HE ' HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 21' ' ' ALA . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.538 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' HD11 ' A' ' 27' ' ' ILE . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.778 0.323 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 ' SG ' ' A' ' 39' ' ' CYS . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' HD11 ' A' ' 27' ' ' ILE . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 35' ' ' LEU . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 27' ' ' ILE . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.328 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.922 0.391 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.495 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 27' ' ' ILE . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.517 HH11 ' ND2' ' A' ' 28' ' ' ASN . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' ND2' HH11 ' A' ' 24' ' ' ARG . 12.0 m-80 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.568 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' A' ' 39' ' ' CYS . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 35' ' ' LEU . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 35' ' ' LEU . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 35' ' ' LEU . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.534 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' HD11 ' A' ' 27' ' ' ILE . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.86 0.362 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 35' ' ' LEU . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 27' ' ' ILE . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.2 m-80 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -167.32 135.43 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -156.49 105.63 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -90.14 -160.86 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 3.0 m-85 -147.95 148.83 31.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -95.88 109.51 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.38 34.81 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -39.87 -43.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -141.38 129.83 22.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.515 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -140.84 168.17 20.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 142.38 40.09 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.94 -41.7 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.54 86.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -70.58 -46.21 63.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.528 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 42' ' ' GLU . 24.4 mt -61.89 -44.62 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 9.9 tpt180 -70.08 -36.98 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.665 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.86 -47.58 58.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 m -53.25 -37.52 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.1 mt -79.89 -23.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.0 m-80 -102.45 11.01 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -137.01 -47.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -90.45 176.51 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 t -157.6 123.75 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -174.14 155.46 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.7 mm -82.59 -10.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.354 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -98.94 -60.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 35' ' ' LEU . 35.3 mt -54.22 -52.2 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.69 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.98 -48.77 75.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.1 74.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.27 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 27' ' ' ILE . 17.2 t -63.62 -49.35 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 76.7 mtp180 -55.1 -40.88 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.17 -52.36 63.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.78 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 23' ' ' LEU . 15.6 pt-20 -74.36 -33.93 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.586 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -57.72 -32.79 67.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 20.7 m170 -62.74 -34.24 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -69.99 -29.24 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' VAL . 21.0 mmt180 -65.03 -34.01 77.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.68 -46.92 87.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.501 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -81.54 -48.7 11.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.48 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' ARG . 90.3 t -91.24 131.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.418 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -144.85 121.3 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 51' ' ' HIS . 29.4 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.667 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -143.58 100.85 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.7 tttt 55.77 99.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.72 -168.4 1.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.45 151.9 42.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.411 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.88 109.63 21.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.7 mt -103.79 34.53 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.2 m -40.0 -40.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -144.73 130.07 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.404 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -142.43 168.18 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.168 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -102.99 140.13 37.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.15 -31.3 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.95 -45.88 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.522 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.75 -45.08 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.0 -49.83 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.03 -30.45 67.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.9 -50.13 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 m -53.39 -35.3 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.485 HD11 ' SG ' ' A' ' 39' ' ' CYS . 78.1 mt -77.07 -36.04 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.06 26.09 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.4 p -153.03 -55.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.633 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.11 178.09 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.3 p -158.26 124.05 4.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -173.63 150.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.5 mt -78.07 -7.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -102.26 -61.07 1.44 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 35' ' ' LEU . 64.8 mt -54.29 -52.3 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.26 -50.37 71.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.0 -35.34 78.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -31.47 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.485 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.6 t -71.81 -52.36 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -53.37 -34.74 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -54.72 -51.46 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.86 -42.2 61.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -49.28 -32.86 11.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.642 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -72.0 -32.52 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.2 -26.84 65.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -69.53 -37.32 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.61 -32.75 74.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -53.69 -33.63 56.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.475 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 49' ' ' VAL . 18.7 t -77.41 2.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -138.44 62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.611 ' CD2' ' H ' ' A' ' 51' ' ' HIS . 8.0 p80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -76.05 95.72 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.402 . . . . 0.0 110.457 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 50.5 mttp -89.99 98.91 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.559 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -51.81 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.371 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -128.22 171.87 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' OG ' ' A' ' 16' ' ' SER . 4.5 t70 -138.3 109.54 6.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.7 mt -94.86 38.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' A' ' 14' ' ' ASP . 15.8 m -41.22 -34.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.784 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.65 130.04 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.9 168.34 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.215 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -109.76 139.43 44.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.556 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -52.12 -29.87 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.68 55.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -74.84 -39.7 61.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 HH21 ' A' ' 46' ' ' ARG . 52.3 mt -64.09 -47.27 80.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -70.26 -32.17 69.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.69 -46.62 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.788 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 m -53.03 -40.35 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.54 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.7 mt -74.05 -33.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -92.45 27.97 2.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -154.0 -55.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -83.33 178.57 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.7 t -158.2 123.78 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -173.93 153.36 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.0 mm -80.87 -4.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.09 -59.97 1.71 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 35' ' ' LEU . 52.9 mt -54.25 -50.3 67.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.55 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.28 -48.53 76.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.461 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.19 -38.34 60.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.9 t -71.97 -48.89 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 43.6 mtp180 -49.78 -31.5 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.474 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -66.01 -38.61 88.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -74.63 -44.41 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.369 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -49.12 -37.03 20.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 25.7 m170 -66.07 -34.13 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -67.23 -33.83 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.479 HH21 HD11 ' A' ' 23' ' ' LEU . 11.1 mmt180 -66.32 -42.82 87.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -52.78 -56.37 16.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.195 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -100.98 111.46 23.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.381 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.9 p -156.18 -2.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' VAL . 66.8 t80 57.88 123.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.673 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' CD2' ' OXT' ' A' ' 51' ' ' HIS . 14.5 t60 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.485 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.05 95.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.527 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLY . 33.3 ttmt -152.21 102.57 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -76.67 -169.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -131.06 154.08 48.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -95.9 109.7 22.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -106.91 35.55 2.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.182 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -39.35 -42.03 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.642 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -145.49 129.93 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -141.17 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -107.57 141.27 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -52.11 -31.91 32.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.431 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 25' ' ' ASP . . . -75.65 -43.75 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.24 -45.49 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.84 -44.82 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.387 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.1 tpt180 -70.12 -40.37 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -67.65 -47.88 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' SER . 86.1 m -53.2 -41.13 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 39' ' ' CYS . 94.7 mt -75.67 -27.52 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.6 m-80 -96.04 9.33 41.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.713 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 p -137.63 -51.21 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.5 t -87.71 174.88 8.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -158.11 123.8 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.597 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.18 140.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.99 -9.87 8.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.282 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -100.74 -62.2 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' CYS . 80.6 mt -54.97 -50.49 68.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.707 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.6 mt -55.92 -49.18 74.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.23 80.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.116 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.59 -32.12 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.4 t -72.01 -52.06 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.16 -31.97 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.714 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.99 -47.53 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.495 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.22 -41.96 80.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -49.07 -44.96 42.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -59.97 -38.61 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -60.33 -31.4 70.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -69.54 -50.62 43.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.654 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mp -51.72 -37.0 49.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.311 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -54.6 -55.42 29.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.6 44.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -157.69 26.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.421 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 16.0 t-160 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 54.36 114.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -143.81 45.17 1.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 2.7 mptp? -78.34 -169.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.561 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -123.32 152.75 41.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.97 109.58 21.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' SER . 10.8 mt -99.6 40.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.082 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 32.8 p -35.7 -36.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.102 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.63 130.05 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.678 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -138.34 168.44 19.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.185 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -105.94 141.48 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.531 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -51.86 -30.03 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -43.88 23.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.466 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.79 -44.31 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HH21 ' A' ' 46' ' ' ARG . 95.5 mt -57.03 -49.64 75.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -69.64 -37.6 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.684 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 m -53.43 -39.39 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.3 mt -72.9 -33.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.679 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.54 10.55 27.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 p -134.84 -54.55 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.53 177.26 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -158.22 123.85 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.13 155.02 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.9 mm -81.83 -5.49 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.213 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.35 -61.45 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 27.8 mt -54.29 -51.23 65.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.619 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.16 -48.44 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.355 . . . . 0.0 110.432 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.6 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.33 -36.55 61.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' SG ' HD11 ' A' ' 27' ' ' ILE . 39.3 t -71.96 -50.53 28.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -50.05 -32.53 15.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.707 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.77 -47.23 86.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.64 -49.22 42.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.32 -34.59 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -71.96 -35.3 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.65 -24.24 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 HH21 HD11 ' A' ' 23' ' ' LEU . 10.8 mmt180 -69.71 -46.22 66.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 47' ' ' LEU . 8.8 mp -54.75 -28.33 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.423 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -59.22 -51.14 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -83.11 -156.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' H ' HG12 ' A' ' 49' ' ' VAL . 18.6 m-85 39.51 45.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.767 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.9 p80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.499 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 t -154.58 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.934 0.397 . . . . 0.0 110.35 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 13' ' ' TYR . 54.5 tttm -172.81 104.35 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 3.7 mptp? -51.0 -175.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.491 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CZ ' ' O ' ' A' ' 11' ' ' LYS . 7.4 m-85 -149.37 150.38 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.491 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.55 109.46 21.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.9 mt -95.71 39.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.3 m -39.31 -34.87 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.793 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -160.91 130.18 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -138.5 168.16 20.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.246 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -114.11 147.13 39.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -52.09 -37.17 53.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.767 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.24 -42.32 75.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -65.4 -46.98 77.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.96 -47.08 87.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.45 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.5 tpt180 -70.2 -39.97 74.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.69 -48.58 71.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.74 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.3 m -53.26 -49.56 66.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.631 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.41 -28.69 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 3.7 m-80 -96.56 25.76 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.705 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 p -151.24 -54.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -88.46 178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.7 t -158.31 124.11 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.21 142.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.7 mt -71.1 -6.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.429 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -102.67 -62.26 1.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 35' ' ' LEU . 59.3 mt -55.19 -51.19 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.584 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -53.88 -49.27 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.26 75.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.46 -35.24 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.6 t -71.71 -50.78 27.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -50.86 -34.69 29.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -58.3 -51.53 69.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.73 -40.56 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.16 -47.46 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -57.19 -30.08 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.99 -43.85 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.771 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.75 -37.2 68.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -52.06 -44.01 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 138.94 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.76 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.41 173.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.17 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 10.8 p90 -154.31 68.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -135.83 -158.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.497 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -149.82 123.48 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -172.84 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.335 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -123.41 140.36 53.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.0 109.51 21.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.8 mt -90.57 39.83 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.299 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.2 m -37.88 -33.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.759 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.94 129.92 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -140.14 168.47 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.184 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -107.18 141.61 38.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -51.99 -30.55 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.386 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.76 -41.97 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.07 -45.88 86.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' NH2' ' A' ' 46' ' ' ARG . 87.5 mt -57.67 -48.85 78.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 14.7 tpt180 -70.1 -32.01 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.65 -49.55 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -53.39 -35.42 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD13 ' HE ' ' A' ' 40' ' ' ARG . 94.7 mt -76.59 -35.76 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -90.98 23.37 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 p -148.52 -56.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -85.6 177.52 7.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -158.03 123.98 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.599 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.81 152.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.5 mt -77.49 -6.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.416 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.73 -61.6 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.744 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' CYS . 20.9 mt -54.32 -51.99 62.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -56.31 -49.33 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -35.53 80.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.959 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.56 -31.76 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 27' ' ' ILE . 11.6 t -71.97 -51.99 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.67 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.53 ' HE ' HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -50.97 -32.74 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 -179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -57.71 -52.2 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.705 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -74.04 -48.93 26.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -49.43 -32.85 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 32.5 m170 -71.98 -36.1 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -62.58 -24.73 67.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.685 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' VAL . 14.4 mmt85 -69.51 -37.17 77.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 47' ' ' LEU . 7.7 mp -72.95 -39.79 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -46.45 -61.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 50' ' ' TYR . 14.6 p -115.43 160.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' N ' HG22 ' A' ' 49' ' ' VAL . 13.5 p90 -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.507 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 29.0 t-80 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 11' ' ' LYS . 16.1 p -87.98 96.84 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.687 0.279 . . . . 0.0 110.645 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 10' ' ' THR . 7.9 tptm 38.91 95.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.91 -156.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.48 169.19 18.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.85 109.53 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.9 mt -99.73 39.63 1.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.266 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.6 m -39.05 -36.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.52 130.0 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.413 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -138.29 168.15 20.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.233 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 144.58 39.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.45 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -51.9 -35.88 46.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' OD2' ' A' ' 25' ' ' ASP . . . -69.9 -44.51 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.57 -44.68 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.15 -48.34 80.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -70.07 -32.02 69.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 21' ' ' ALA . 61.8 m-20 -74.06 -48.24 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.772 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.9 m -53.35 -43.04 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.538 HD11 ' SG ' ' A' ' 39' ' ' CYS . 89.8 mt -71.21 -29.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.03 26.35 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 p -151.14 -53.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.9 179.39 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 t -158.11 123.92 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -174.18 153.8 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mm -81.23 -10.52 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.418 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -98.51 -61.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 28.9 mt -54.07 -52.39 61.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.703 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.06 -48.4 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.254 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.36 -38.82 59.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' HD11 ' A' ' 27' ' ' ILE . 40.8 t -71.81 -48.96 42.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -49.86 -33.82 18.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.17 -52.09 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.468 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.8 -42.77 85.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.218 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -48.94 -46.11 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -56.78 -36.71 70.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.799 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -65.01 -43.26 93.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.004 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -55.12 -37.49 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.27 -28.38 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.444 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -76.34 -70.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 49' ' ' VAL . 34.5 m -66.9 122.63 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 6.9 p90 -94.62 45.9 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HD1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.63 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 43.3 p -133.07 -157.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 10' ' ' THR . 28.9 tttp 74.54 92.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.724 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 16.3 mttt 48.87 -164.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 12' ' ' LYS . 16.9 m-85 -151.37 156.33 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.474 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -96.0 109.59 21.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.31 39.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -38.36 -36.29 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -158.31 130.29 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -139.79 168.02 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.26 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -104.04 144.04 32.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -54.04 -33.83 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.47 -46.47 22.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.552 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -57.58 -40.42 78.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.671 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.1 mt -64.71 -54.51 30.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.403 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -64.33 -34.23 77.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -72.0 -47.67 50.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -53.32 -34.49 57.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.38 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 ' SG ' ' A' ' 39' ' ' CYS . 91.3 mt -77.7 -33.06 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -95.71 29.44 2.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -151.65 -54.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -86.8 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.2 t -158.24 123.67 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -174.35 154.81 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.99 -11.92 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.374 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -96.31 -61.09 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.25 -52.35 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.34 -49.13 75.24 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.21 74.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.414 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.05 -40.96 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.675 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' HD11 ' A' ' 27' ' ' ILE . 48.3 t -66.59 -52.37 46.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.46 -30.58 63.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.84 -52.16 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.35 -29.59 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.655 -179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -60.39 -33.1 71.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.224 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.52 -42.07 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 49' ' ' VAL . 65.9 mtp180 -56.18 -41.49 75.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 49' ' ' VAL . 13.7 mmt85 -53.12 -33.33 51.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.93 -29.07 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 50' ' ' TYR . 32.5 tttm -101.71 -4.38 26.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.858 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . 2.8 p -64.04 3.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.484 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 48' ' ' LYS . 22.0 t80 -122.81 40.23 3.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' TYR . 53.7 t-80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.614 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 10' ' ' THR . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 57.94 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.793 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -123.09 59.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.46 -156.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -123.28 159.46 28.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.95 109.63 21.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.702 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.4 mt -96.75 39.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -39.37 -35.06 0.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.64 130.09 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -142.42 168.4 19.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -107.47 139.91 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -51.82 -29.9 21.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -38.26 46.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.53 -40.61 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.54 -50.61 70.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -68.23 -35.01 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.29 -46.96 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 m -53.34 -35.36 60.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 39' ' ' CYS . 86.0 mt -77.8 -31.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -96.52 26.73 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.1 p -151.31 -53.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -89.33 179.04 6.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.7 t -158.22 123.78 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.15 152.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.439 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.1 mm -77.95 -10.99 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.29 -60.88 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 35' ' ' LEU . 58.6 mt -54.15 -52.21 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.812 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.46 -48.78 76.36 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.06 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -34.25 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.607 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 27' ' ' ILE . 52.0 t -71.94 -51.2 23.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -51.01 -33.92 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.88 -44.58 86.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -72.36 -47.46 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -49.15 -32.77 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -71.27 -37.43 71.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -70.03 -30.61 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -62.68 -33.56 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.09 -42.14 98.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -66.47 -40.91 89.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.95 134.51 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.466 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -83.16 -144.9 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.594 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' CD2' ' OXT' ' A' ' 51' ' ' HIS . 9.9 t-160 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.567 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.5 t -155.6 -157.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 110.453 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -151.82 87.66 1.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp 40.78 -157.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.765 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -143.64 157.5 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -112.59 109.62 19.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.8 mt -105.02 34.11 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.176 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -38.54 -42.24 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -144.45 129.9 18.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -142.48 168.15 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.032 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -108.31 141.57 39.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -53.36 -31.66 45.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.74 -47.33 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD11 ' NH2' ' A' ' 46' ' ' ARG . 27.7 mt -56.39 -45.83 80.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -69.94 -43.98 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.78 -49.33 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -44.71 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.51 -32.71 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -94.44 27.24 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 p -149.53 -55.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.7 t -84.97 -179.61 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.9 t -158.2 123.76 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.2 156.58 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.487 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.5 mm -83.19 -11.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.381 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.32 -60.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.9 mt -54.16 -52.29 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.527 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 91.5 mt -56.04 -49.35 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -34.97 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.54 -31.8 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.591 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' LEU . 6.3 t -72.03 -52.19 18.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.659 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -53.73 -32.28 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -56.6 -52.05 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.6 -42.35 78.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.41 -36.94 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -71.87 -34.54 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -63.47 -24.61 67.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.909 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH2' HD11 ' A' ' 23' ' ' LEU . 8.7 mmt85 -69.79 -45.37 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 47' ' ' LEU . 8.2 mp -59.76 -42.7 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.389 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -47.05 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 49' ' ' VAL . 14.1 p -99.81 128.88 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.494 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.51 75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.472 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -147.82 120.39 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -170.21 98.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.91 -165.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 14.6 m-85 -149.38 142.5 24.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.477 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.96 109.89 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB1' ' A' ' 38' ' ' ALA . 6.3 mt -97.08 33.39 1.94 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -40.31 -39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 82.4 mttt -144.18 129.9 19.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 8.0 m95 -145.09 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.61 141.22 38.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.569 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -52.13 -30.0 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.76 -43.0 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -61.07 -46.41 90.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.0 mt -57.81 -48.5 79.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -70.12 -40.1 75.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.729 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.9 -48.53 76.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -53.24 -38.16 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.583 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.495 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.9 mt -75.41 -31.16 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.41 18.41 12.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.72 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.5 p -144.55 -52.65 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -86.48 177.79 7.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.4 p -158.37 124.06 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -173.74 158.47 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.467 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.8 mt -83.26 -8.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -103.16 -59.27 1.74 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -54.16 -51.15 65.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.3 -49.29 76.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.16 77.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.279 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.45 -34.7 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.551 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' HD11 ' A' ' 27' ' ' ILE . 49.1 t -71.82 -51.21 23.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NH1' ' CB ' ' A' ' 40' ' ' ARG . 15.8 mtp-105 -51.51 -36.39 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.78 -48.73 72.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.501 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.87 -43.65 62.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.501 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 47' ' ' LEU . 29.4 t80 -48.81 -53.02 20.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.574 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -54.94 -37.55 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 -72.51 -44.31 62.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.427 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' NH2' ' O ' ' A' ' 18' ' ' TRP . 20.5 mmt180 -51.09 -36.24 39.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 43' ' ' PHE . 7.9 mp -63.83 -30.15 71.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -48.77 -76.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -87.77 -179.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' HG23 ' A' ' 49' ' ' VAL . 3.8 m-85 48.27 29.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' C ' ' ND1' ' A' ' 51' ' ' HIS . 2.3 t-80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.607 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 8.8 t -145.36 -157.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.385 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' OG1' ' A' ' 10' ' ' THR . 35.1 tttm -136.85 97.0 3.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.561 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -165.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.634 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.42 146.18 49.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.11 109.51 21.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' HB1' ' A' ' 38' ' ' ALA . 8.5 mt -100.01 39.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.282 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -39.22 -36.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -156.5 130.2 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -141.36 168.1 20.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.098 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.47 143.67 41.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 33.1 t80 -51.98 -31.37 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.34 63.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.08 -42.15 76.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.0 -48.3 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.517 HH11 ' ND2' ' A' ' 28' ' ' ASN . 12.7 tpt85 -70.03 -34.72 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -74.68 -45.9 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -53.18 -44.73 68.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -31.47 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' ND2' HH11 ' A' ' 24' ' ' ARG . 12.0 m-80 -95.26 25.33 4.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.8 p -149.87 -54.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 179.13 6.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 29.3 p -158.34 124.06 4.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -173.62 142.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.9 mt -69.1 -7.61 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.84 -62.12 1.32 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.22 -49.82 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.657 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.84 -48.93 76.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.3 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.47 -33.32 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.48 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.9 t -72.02 -51.39 22.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -49.9 -31.09 11.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.5 -45.39 87.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.345 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.84 -49.0 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 47' ' ' LEU . 31.5 t80 -49.15 -47.93 45.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.456 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -56.14 -40.89 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -67.12 -44.23 80.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -54.47 -36.37 64.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 43' ' ' PHE . 7.7 mp -67.07 -43.91 81.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.3 tttp -55.9 -95.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' O ' ' O ' ' A' ' 48' ' ' LYS . 21.0 t 51.11 106.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -116.04 27.57 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.513 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--O 1.218 -0.57 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.604 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.4 p -135.97 -158.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.476 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -160.52 127.87 4.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -136.42 -158.07 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.5 m-85 -150.4 159.78 44.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.539 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -103.32 109.51 21.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.1 40.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.022 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 t -38.01 -37.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 130.26 6.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -137.78 165.33 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.196 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -106.89 143.26 35.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -52.15 -37.05 53.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.333 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.56 72.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.03 -43.14 96.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.45 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.48 -46.21 84.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.512 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.568 HH11 ' ND2' ' A' ' 28' ' ' ASN . 17.2 tpt85 -70.09 -33.37 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.77 -47.76 29.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -53.32 -39.54 64.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' A' ' 39' ' ' CYS . 92.0 mt -73.65 -32.5 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.568 ' ND2' HH11 ' A' ' 24' ' ' ARG . 2.2 m-80 -93.01 11.45 27.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.9 p -135.87 -53.97 0.76 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -84.42 176.02 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 123.84 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.56 158.1 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.375 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.7 mt -84.39 -6.77 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.385 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -104.98 -59.42 1.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.753 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 35' ' ' LEU . 54.4 mt -54.28 -51.13 65.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.646 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 92.1 mt -55.67 -49.01 74.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.387 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.37 -34.27 61.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.522 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.9 t -71.79 -51.39 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.651 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -50.81 -37.58 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.71 -50.77 67.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.17 -43.42 78.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.624 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -49.12 -34.87 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -71.94 -35.61 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -61.0 -28.67 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.65 -37.59 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.42 -37.3 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -45.97 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.679 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.6 p -44.61 117.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -173.75 87.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.553 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -172.08 144.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.46 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -129.13 97.43 4.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -89.18 -168.41 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -138.36 148.27 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.392 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -95.81 109.62 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -108.04 30.07 6.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.089 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 t -38.24 -46.13 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.796 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 9.2 mtmt -133.82 129.45 36.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.66 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 7.5 m95 -146.09 168.11 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.956 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -112.93 142.16 45.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -51.93 -35.08 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.21 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -75.02 -49.15 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.06 -46.86 72.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -70.29 -50.15 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.73 -49.89 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.8 m -53.24 -43.73 67.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 93.3 mt -73.37 -22.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.04 15.2 29.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.7 p -143.83 -48.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -88.06 174.05 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.364 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.7 t -155.96 123.87 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.14 154.65 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.7 mm -80.36 -11.15 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -100.0 -59.24 1.75 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 35' ' ' LEU . 69.8 mt -54.12 -52.18 61.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.622 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.76 -48.64 74.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.67 76.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.221 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.44 -37.44 60.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 19.3 t -71.86 -49.91 34.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.722 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 44' ' ' HIS . 37.2 mtp85 -50.06 -34.1 20.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.658 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.26 -47.38 86.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -74.55 -47.0 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -49.08 -33.19 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 40' ' ' ARG . 54.9 m170 -71.92 -34.56 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.41 -28.45 69.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -69.62 -40.63 76.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -44.33 -41.57 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.61 139.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 14.2 m-85 -117.28 55.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' ' NZ ' ' A' ' 12' ' ' LYS . 13.3 t -160.12 -157.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -145.0 116.76 8.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.6 mptp? -85.97 -157.15 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 6.4 m-85 -153.97 138.85 17.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -95.82 109.53 21.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.65 39.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.329 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -39.86 -35.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.733 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.59 130.01 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -140.34 168.23 20.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -113.41 144.27 43.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -51.92 -30.08 22.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.93 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.83 -47.7 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.81 -50.09 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -69.95 -41.3 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.48 -49.64 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.722 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.8 m -53.21 -45.54 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.33 -31.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.65 25.31 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -149.33 -54.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.625 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -86.6 179.76 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.3 t -158.26 123.88 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -174.15 152.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 33' ' ' ILE . 69.7 mt -81.56 -6.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -102.28 -61.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 35' ' ' LEU . 22.2 mt -54.6 -52.1 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.3 -48.4 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.36 -33.65 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.166 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.35 -35.06 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.529 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.88 -50.43 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.721 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -51.7 -33.05 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -60.09 -52.12 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.81 -42.37 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.306 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -49.29 -34.67 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -67.5 -38.08 83.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -62.62 -28.23 69.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.921 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -69.72 -39.76 76.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.15 -53.44 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -81.78 110.96 17.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.08 151.32 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 10.4 m-85 -87.69 52.49 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.606 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 p -149.23 97.66 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -84.65 93.0 8.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 2.5 mppt? 43.05 -162.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 5.1 m-85 -151.73 163.55 38.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -96.07 109.57 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.638 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 38' ' ' ALA . 10.3 mt -105.86 40.06 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.144 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -38.4 -38.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 129.94 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -138.84 168.04 20.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.092 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -113.16 146.01 39.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.708 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.75 -34.57 39.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . -70.68 -43.52 68.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -64.88 -44.98 87.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HH21 ' A' ' 46' ' ' ARG . 31.0 mt -64.26 -47.89 77.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.4 tpt180 -69.77 -34.86 74.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 8.9 t70 -73.12 -48.33 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.3 m -53.28 -42.44 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD11 ' SG ' ' A' ' 39' ' ' CYS . 87.6 mt -73.8 -27.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.4 m-80 -97.81 19.04 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.1 p -147.26 -51.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -85.15 176.31 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.1 t -157.82 123.84 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -174.2 153.81 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 67.3 mt -81.88 -4.83 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -105.37 -60.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.778 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 35' ' ' LEU . 33.0 mt -54.73 -50.91 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.31 -48.75 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.33 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.215 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -75.4 -34.27 61.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' HD11 ' A' ' 27' ' ' ILE . 16.8 t -71.91 -50.99 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.67 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -49.88 -30.95 11.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.37 -43.61 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' OE2' ' NH1' ' A' ' 45' ' ' ARG . 40.9 mm-40 -71.92 -40.38 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -55.24 -42.92 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -62.01 -37.99 86.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' O ' HG12 ' A' ' 49' ' ' VAL . 89.2 mtt180 -59.87 -28.91 67.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.044 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.423 HH21 HD11 ' A' ' 23' ' ' LEU . 11.0 mmt180 -69.64 -38.06 77.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.718 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 47' ' ' LEU . 11.1 mp -69.41 -29.77 67.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.349 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -74.93 -70.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.5 p -47.94 124.4 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 41.62 54.43 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CG ' ' OXT' ' A' ' 51' ' ' HIS . 20.6 t-80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.538 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 p -148.87 121.7 8.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.766 0.317 . . . . 0.0 110.488 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -139.78 110.81 6.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.449 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -101.69 -156.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.491 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -143.09 147.51 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -95.91 109.55 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB1' ' A' ' 38' ' ' ALA . 7.6 mt -105.13 34.58 3.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m -40.1 -41.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.644 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -143.74 129.91 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -142.15 163.92 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -101.62 142.53 32.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.572 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.5 -33.71 55.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.34 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' OG1' ' A' ' 26' ' ' THR . 23.1 mm-40 -59.56 -40.8 88.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.1 mt -64.97 -51.35 62.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.487 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.9 tpt180 -68.53 -32.21 71.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.61 -47.29 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.755 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 22' ' ' GLU . 96.1 m -53.35 -39.24 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.534 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -74.05 -33.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -92.6 26.42 2.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 p -151.4 -56.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.73 178.38 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.1 t -158.08 123.95 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -173.48 143.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 74.7 mt -71.79 -8.7 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.326 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -99.62 -61.33 1.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.0 -52.33 63.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -56.4 -48.1 77.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.374 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.91 73.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.41 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -74.95 -42.43 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' HD11 ' A' ' 27' ' ' ILE . 29.7 t -64.94 -52.46 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 59.5 mtp180 -54.58 -30.54 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.07 -52.29 25.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -73.42 -29.66 62.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.631 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.85 -34.1 76.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.3 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 55.5 m170 -66.81 -39.01 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.494 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -62.12 -37.77 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -55.34 -33.57 63.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.35 -42.88 64.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.58 -98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -58.66 125.94 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -138.6 110.34 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.72 145.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -128.78 103.52 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.76 -168.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.326 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -130.73 162.04 30.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -95.96 109.84 22.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' SER . 9.8 mt -112.09 34.88 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.101 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.8 t -38.55 -44.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -142.23 129.94 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -140.95 167.93 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -106.29 141.05 38.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -52.54 -33.29 44.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.78 -43.68 45.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.76 -44.72 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD13 ' OE2' ' A' ' 42' ' ' GLU . 27.8 mt -60.27 -48.21 82.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.94 -39.45 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.76 -47.81 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 m -53.33 -40.16 64.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.6 mt -73.56 -32.63 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.3 28.32 2.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.722 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -151.13 -55.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.592 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -85.63 -179.76 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 t -157.73 123.83 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -174.27 153.47 1.99 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 33' ' ' ILE . 71.4 mt -82.56 -7.04 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.404 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -101.08 -61.39 1.38 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 35' ' ' LEU . 18.9 mt -54.16 -52.4 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.605 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.8 mt -54.97 -49.04 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.48 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -43.46 53.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 27' ' ' ILE . 42.1 t -65.68 -51.51 58.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -55.76 -36.86 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.57 -52.6 64.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.929 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' OE2' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.54 -29.43 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.87 -38.47 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.95 -35.52 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.74 -26.29 68.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.613 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.672 ' O ' HG12 ' A' ' 49' ' ' VAL . 27.5 mmt180 -66.18 -45.76 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 47' ' ' LEU . 9.3 mp -53.01 -32.99 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.657 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.77 -12.31 52.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.907 HG22 ' H ' ' A' ' 50' ' ' TYR . 4.2 p -69.04 -152.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.378 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.907 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.1 m-85 -60.1 76.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' VAL . 35.6 p-80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.628 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -176.06 145.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.96 107.33 9.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -87.14 -175.42 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 12' ' ' LYS . 3.7 m-85 -152.06 158.48 43.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -95.94 109.44 21.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' OE2' ' A' ' 42' ' ' GLU . 8.4 mt -105.58 39.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -39.67 -38.05 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 130.17 10.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -139.08 167.33 22.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.147 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.86 146.13 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.512 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.17 -30.96 64.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.43 -45.35 19.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.649 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -58.5 -41.91 86.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.79 -51.75 60.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.581 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 4.5 tpt180 -68.28 -30.41 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.483 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.91 -48.43 24.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -53.34 -44.08 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' SG ' ' A' ' 39' ' ' CYS . 95.8 mt -69.46 -30.07 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 24' ' ' ARG . 2.2 m-80 -96.16 22.69 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 p -148.34 -53.57 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 t -84.09 178.74 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 p -158.17 123.96 4.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.755 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.02 155.6 2.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 33' ' ' ILE . 68.1 mt -83.35 -5.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -105.06 -59.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 35' ' ' LEU . 40.4 mt -54.21 -51.19 65.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.26 -48.56 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.88 74.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.04 58.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.678 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 27' ' ' ILE . 41.7 t -71.96 -43.1 65.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 mtt-85 -62.38 -32.29 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.687 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' OE2' HD13 ' A' ' 15' ' ' LEU . 13.0 pt-20 -70.45 -31.32 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -58.45 -32.98 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.489 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -59.79 -32.78 70.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -56.46 -33.67 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.389 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 47' ' ' LEU . 7.4 mp -75.91 -21.8 56.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.361 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -73.78 -58.32 3.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.1 t -46.12 124.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -60.95 88.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.451 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CD2' ' OXT' ' A' ' 51' ' ' HIS . 12.5 t-160 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.561 -179.962 . . . . . . . . 1 1 . 1 stop_ save_